CID 78012

N-tetradecylpropane-1,3-diamine

Structural Information

Molecular Formula
C17H38N2
SMILES
CCCCCCCCCCCCCCNCCCN
InChI
InChI=1S/C17H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h19H,2-18H2,1H3
InChIKey
SSSZZOVUXFLWCQ-UHFFFAOYSA-N
Compound name
N'-tetradecylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

299
Patents

270.3035 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.310776 175.5
[M+Na]+ 293.292718 176.4
[M-H]- 269.296224 173.0
[M+NH4]+ 288.337323 191.2
[M+K]+ 309.266658 172.9
[M+H-H2O]+ 253.300760 168.1
[M+HCOO]- 315.301701 197.0
[M+CH3COO]- 329.317351 209.6
[M+Na-2H]- 291.278166 176.2
[M]+ 270.30295142 178.3
[M]- 270.30404858 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe